Geometry & MOs

Info

ID:	176974
PubChem CID:	76120148
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	431.203191
ΔH_f, kcal/mol:	-131.48
Dipole, Da:	2.78
IP(EA), eV:	-8.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N-hydroxy-2-[3-[4-(trifluoromethyl)phenyl]propyl]butanediamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)N

DOS

IR

Vibrations